Computational Chemistry Modelling

I specialize in the computational modeling of CO₂ reduction and photocatalysis mediated by transition metal pincer complexes. My research integrates DFT, TDDFT, and advanced wavefunction-based approaches (ADC(2), CC2, EOM-CCSD, CASPT2) to elucidate photoinduced charge-transfer processes and catalytic reaction pathways.

I am particularly interested in theory–experiment collaborations aimed at designing efficient molecular catalysts, probing excited-state dynamics, and embedding catalytic sites within hybrid frameworks such as MOFs.

Open to collaborative projects with academic or industrial partners in sustainable catalysis, molecular design, and CO₂ valorization.